2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[(2-fluorophenyl)methyl]acetamide

C11H12FN5O — CID 131946125

IUPAC2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESNc1n[nH]c(CC(=O)NCc2ccccc2F)n1
InChIInChI=1S/C11H12FN5O/c12-8-4-2-1-3-7(8)6-14-10(18)5-9-15-11(13)17-16-9/h1-4H,5-6H2,(H,14,18)(H3,13,15,16,17)
InChIKeyHEBXPDCXQMTRTR-UHFFFAOYSA-N
MW249.25 g/mol
LogP0.38
Rot. Bonds4

About 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[(2-fluorophenyl)methyl]acetamide

2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 131946125) has the molecular formula C11H12FN5O and a molecular weight of 249.25 g/mol. Its IUPAC name is 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID131946125
Molecular FormulaC11H12FN5O
Molecular Weight249.25 g/mol
Exact Mass249.10
IUPAC Name2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESNc1n[nH]c(CC(=O)NCc2ccccc2F)n1
InChIInChI=1S/C11H12FN5O/c12-8-4-2-1-3-7(8)6-14-10(18)5-9-15-11(13)17-16-9/h1-4H,5-6H2,(H,14,18)(H3,13,15,16,17)
InChIKeyHEBXPDCXQMTRTR-UHFFFAOYSA-N
XLogP0.38
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[(2-fluorophenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[(2-fluorophenyl)methyl]acetamide (CID 131946125) is 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[(2-fluorophenyl)methyl]acetamide is Nc1n[nH]c(CC(=O)NCc2ccccc2F)n1.
What is the InChIKey of 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is HEBXPDCXQMTRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O/c12-8-4-2-1-3-7(8)6-14-10(18)5-9-15-11(13)17-16-9/h1-4H,5-6H2,(H,14,18)(H3,13,15,16,17).
What are the key properties of 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[(2-fluorophenyl)methyl]acetamide?
2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 249.25 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 131946125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).